2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide

C15H19N5O3 — CID 28960803

IUPAC2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(C)C1
InChIInChI=1S/C15H19N5O3/c1-20-8-11(17-13(21)9-22-2)7-12(20)15-18-14(19-23-15)10-3-5-16-6-4-10/h3-6,11-12H,7-9H2,1-2H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyXHJKHUYCUOOSJL-RYUDHWBXSA-N
MW317.35 g/mol
LogP0.64
Rot. Bonds5

About 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide

2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide (PubChem CID 28960803) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
PubChem CID28960803
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(C)C1
InChIInChI=1S/C15H19N5O3/c1-20-8-11(17-13(21)9-22-2)7-12(20)15-18-14(19-23-15)10-3-5-16-6-4-10/h3-6,11-12H,7-9H2,1-2H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyXHJKHUYCUOOSJL-RYUDHWBXSA-N
XLogP0.64
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide (CID 28960803) is 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide is COCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(C)C1.
What is the InChIKey of 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is XHJKHUYCUOOSJL-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-20-8-11(17-13(21)9-22-2)7-12(20)15-18-14(19-23-15)10-3-5-16-6-4-10/h3-6,11-12H,7-9H2,1-2H3,(H,17,21)/t11-,12-/m0/s1.
What are the key properties of 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 28960803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).